2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial

C10H8F3NS2 — CID 91055066

IUPAC2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial
SMILESFC(F)(F)Sc1ccc(/C=N/CC=S)cc1
InChIInChI=1S/C10H8F3NS2/c11-10(12,13)16-9-3-1-8(2-4-9)7-14-5-6-15/h1-4,6-7H,5H2/b14-7+
InChIKeyPRULOMXNPSTBNR-VGOFMYFVSA-N
MW263.31 g/mol
LogP3.72
Rot. Bonds4

About 2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial

2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial (PubChem CID 91055066) has the molecular formula C10H8F3NS2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial.

Molecular Properties

Compound Name2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial
PubChem CID91055066
Molecular FormulaC10H8F3NS2
Molecular Weight263.31 g/mol
Exact Mass263.01
IUPAC Name2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial
SMILESFC(F)(F)Sc1ccc(/C=N/CC=S)cc1
InChIInChI=1S/C10H8F3NS2/c11-10(12,13)16-9-3-1-8(2-4-9)7-14-5-6-15/h1-4,6-7H,5H2/b14-7+
InChIKeyPRULOMXNPSTBNR-VGOFMYFVSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydro-1,4-benzothiazepine
CID 68638158
2-[[4-(Trifluoromethylsulfanyl)phenyl]methylimino]ethanethial
CID 57591279
2-[[3-(Trifluoromethylsulfanyl)phenyl]methylimino]ethanethial
CID 57591329
(NE)-N-[[4-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine
CID 60701348
Bis(formonitrile);[4-(trifluoromethylsulfanyl)phenyl]methylidenehydrazine
CID 68817533
N-[[4-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine
CID 76874397
2-[4-(Trifluoromethylsulfanyl)phenyl]ethanimine
CID 88415573
N-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine
CID 123529789
[4-(Trifluoromethylsulfanyl)phenyl]methanimine
CID 149562760
4-[4-(Trifluoromethylsulfanyl)phenyl]-2,3-dihydropyridine
CID 154037678
N-methyl-1-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanimine
CID 163368289
1-[4-[ditert-butyl(fluoro)-lambda4-sulfanyl]phenyl]-N-ethylmethanimine
CID 168188601

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial?
The IUPAC name of 2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial (CID 91055066) is 2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial.
What is the SMILES notation for 2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial?
The canonical SMILES for 2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial is FC(F)(F)Sc1ccc(/C=N/CC=S)cc1.
What is the InChIKey of 2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial?
The InChIKey is PRULOMXNPSTBNR-VGOFMYFVSA-N. The full InChI is InChI=1S/C10H8F3NS2/c11-10(12,13)16-9-3-1-8(2-4-9)7-14-5-6-15/h1-4,6-7H,5H2/b14-7+.
What are the key properties of 2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial?
2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial has a molecular weight of 263.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]ethanethial is sourced from PubChem (CID 91055066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).